SCHEMBL1719694

SCHEMBL1719694

O=C(c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
MAPT P10636 7/20 0.51
GAA P10253 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PTGES O14684 1/20 0.48
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP1 P29466 2/20 0.44
CASP7 P55210 1/20 0.44
POLB P06746 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1719998 0.93 USP2 (0.53) USP2MAPTGAAL3MBTL1MAPK1
SCHEMBL1718886 0.91 USP2 (0.51) USP2MAPTGAAL3MBTL1MAPK1
SCHEMBL1718562 0.84 ALDH1A1 (0.58) USP2MAPTGAAL3MBTL1RXFP1
SCHEMBL1718881 0.84 USP2 (0.60) USP2MAPTGAAL3MBTL1MAPK1
SCHEMBL1719141 0.81 MAPT (0.64) USP2MAPTGAAL3MBTL1PTGES
SCHEMBL1718620 0.81 ALDH1A1 (0.59) MAPTGAAL3MBTL1MAPK1ALDH1A1
SCHEMBL1718686 0.81 ALDH1A1 (0.58) USP2MAPTGAAL3MBTL1MAPK1
SCHEMBL1719409 0.81 MAPT (0.69) USP2MAPTGAAL3MBTL1PTGES
SCHEMBL1719255 0.81 ALDH1A1 (0.57) USP2MAPTGAAL3MBTL1MAPK1
SCHEMBL1718176 0.81 ALDH1A1 (0.57) USP2MAPTGAAL3MBTL1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed